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Geometry for Si3H8 (trisilane) 1A1 C2V

1910171554
InChI=1S/H8Si3/c1-3-2/h3H2,1-2H3 INChIKey=VEDJZFSRVVQBIL-UHFFFAOYSA-N

wB97X-D/6-31G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Si1 0.0000 0.0000 0.8974   0.8974 0.0000 0.0000
Si2 0.0000 1.9490 -0.4215   -0.4215 0.0000 1.9490
Si3 0.0000 -1.9490 -0.4215   -0.4215 0.0000 -1.9490
H4 1.2092 0.0000 1.7864   1.7864 1.2092 0.0000
H5 -1.2092 0.0000 1.7864   1.7864 -1.2092 0.0000
H6 0.0000 3.1793 0.4335   0.4335 0.0000 3.1793
H7 0.0000 -3.1793 0.4335   0.4335 0.0000 -3.1793
H8 1.2141 1.9794 -1.3002   -1.3002 1.2141 1.9794
H9 -1.2141 1.9794 -1.3002   -1.3002 -1.2141 1.9794
H10 -1.2141 -1.9794 -1.3002   -1.3002 -1.2141 -1.9794
H11 1.2141 -1.9794 -1.3002   -1.3002 1.2141 -1.9794
Atom - Atom Distances (Å)
  Si1 Si2 Si3 H4 H5 H6 H7 H8 H9 H10 H11
Si1 2.3533 2.3533 1.5008 1.5008 3.2129 3.2129 3.1971 3.1971 3.1971 3.1971
Si2 2.3533 3.8979 3.1837 3.1837 1.4982 5.1990 1.4990 1.4990 4.2045 4.2045
Si3 2.3533 3.8979 3.1837 3.1837 5.1990 1.4982 4.2045 4.2045 1.4990 1.4990
H4 1.5008 3.1837 3.1837 2.4184 3.6606 3.6606 3.6667 4.3951 4.3951 3.6667
H5 1.5008 3.1837 3.1837 2.4184 3.6606 3.6606 4.3951 3.6667 3.6667 4.3951
H6 3.2129 1.4982 5.1990 3.6606 3.6606 6.3585 2.4330 2.4330 5.5759 5.5759
H7 3.2129 5.1990 1.4982 3.6606 3.6606 6.3585 5.5759 5.5759 2.4330 2.4330
H8 3.1971 1.4990 4.2045 3.6667 4.3951 2.4330 5.5759 2.4282 4.6441 3.9587
H9 3.1971 1.4990 4.2045 4.3951 3.6667 2.4330 5.5759 2.4282 3.9587 4.6441
H10 3.1971 4.2045 1.4990 4.3951 3.6667 5.5759 2.4330 4.6441 3.9587 2.4282
H11 3.1971 4.2045 1.4990 3.6667 4.3951 5.5759 2.4330 3.9587 4.6441 2.4282
Maximum atom distance is 6.3585Å between atoms H6 and H7.
picture of trisilane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S2 S1 S3 111.823
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 S2 H6 111.112 S1 S2 H8 110.201
S1 S2 H9 110.201 S1 S3 H7 111.112
S1 S3 H10 110.201 S1 S3 H11 110.201
S2 S1 H4 109.389 S2 S1 H5 109.389
S3 S1 H4 109.389 S3 S1 H5 109.389
H4 S1 H5 107.355 H6 S2 H8 108.534
H6 S2 H9 108.534 H7 S3 H10 108.534
H7 S3 H11 108.534 H8 S2 H9 108.182
H10 S3 H11 108.182

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.